Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL562236

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCc3nc(Cc4cccnc4)no3)nnc12.O=C(O)C(F)(F)F

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.33
RXFP1 Q9HBX9 2/20 0.33
ADORA2A P29274 4/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARA Q07869 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PCK1 P35558 1/20 0.31
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2523031 0.94 ADORA2A (0.35) PPARGRXFP1ADORA2APPARAMAPT
Trifluoroacetic Acid SCHEMBL562306 0.89 RXFP1 (0.37) RXFP1ADORA2AMAPTALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL562727 0.89 PPARA (0.45) ADORA2AKMT2APPARASMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL562037 0.88 ALDH1A1 (0.34) PPARGRXFP1ADORA2AALDH1A1SMN1; SMN2
SCHEMBL562025 0.88 PPARG (0.41) PPARGADORA2AALDH1A1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL561953 0.86 ADORA2B (0.36) ADORA2APPARAMAPTSMN1; SMN2HTT
Trifluoroacetic Acid SCHEMBL562106 0.85 PPARA (0.46) ADORA2AKMT2APPARAALDH1A1SMN1; SMN2
SCHEMBL562018 0.85 ADORA2A (0.37) PPARGADORA2AALDH1A1SMN1; SMN2
SCHEMBL562967 0.85 ADORA2A (0.37) PPARGADORA2AALDH1A1SMN1; SMN2
SCHEMBL10183558 0.85 MEN1 (0.40) PPARGADORA2AMEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2014-12-18 US disclosed
US-8703783-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2014-04-22 US disclosed
US-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 US disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-11-19 US disclosed
EP-2044074-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-08 EP disclosed
US-7511050-B2 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2009-03-31 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A PPARG 241/4885RXFP1 309/4885ADORA2A 12/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A PPARG 241/4885RXFP1 309/4885ADORA2A 12/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A PPARG 241/4885RXFP1 309/4885ADORA2A 12/4885
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders HMGCR, LDLR, GPBAR1 PPARG 58/4885RXFP1 726/4885ADORA2A 24/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.